2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene

C30H38N4O2 — CID 145269484

IUPAC2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
SMILESCc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cccc(N3CCCC3)c2)cnc1N
InChIInChI=1S/C16H18N4O.C14H20O/c17-15-14(16(18)21)9-12(10-19-15)11-4-3-5-13(8-11)20-6-1-2-7-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h3-5,8-10H,1-2,6-7H2,(H2,17,19)(H2,18,21);7-9,14H,3-6,10H2,1-2H3
InChIKeyBHBMYQQKGSEPQC-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.79
Rot. Bonds6

About 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene

2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene (PubChem CID 145269484) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
PubChem CID145269484
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC Name2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
SMILESCc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cccc(N3CCCC3)c2)cnc1N
InChIInChI=1S/C16H18N4O.C14H20O/c17-15-14(16(18)21)9-12(10-19-15)11-4-3-5-13(8-11)20-6-1-2-7-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h3-5,8-10H,1-2,6-7H2,(H2,17,19)(H2,18,21);7-9,14H,3-6,10H2,1-2H3
InChIKeyBHBMYQQKGSEPQC-UHFFFAOYSA-N
XLogP5.79
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269532
2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol
CID 145269327
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine
CID 145269301
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[3-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 126644492
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
3-amino-5-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]carbamoyl]-3-pyridinyl]benzoic acid
CID 126644195
2-amino-5-[3-methyl-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 126671603
2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide
CID 166560947
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644660
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The IUPAC name of 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene (CID 145269484) is 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The canonical SMILES for 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene is Cc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cccc(N3CCCC3)c2)cnc1N.
What is the InChIKey of 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
The InChIKey is BHBMYQQKGSEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O.C14H20O/c17-15-14(16(18)21)9-12(10-19-15)11-4-3-5-13(8-11)20-6-1-2-7-20;1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14/h3-5,8-10H,1-2,6-7H2,(H2,17,19)(H2,18,21);7-9,14H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene?
2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene has a molecular weight of 486.66 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 145269484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).